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5 papers · 2 filters
Robust diamond-like Fe-Si network in the zero-strain NaxFeSiO4 Cathode
Z. Ye, X. Zhao, S. D. Li +10
Sodium orthosilicates Na2MSiO4 (M denotes transition metals) have attracted much attention due to the possibility of exchanging two electrons per formula unit. In this work, we rep…
Origin of Symmetric Dimer Images of Si(001) Observed in Low-Temperature STM
Xiao-Yan Ren, Hyun-Jung Kim, Chun-Yao Niu +2
It has been a long-standing puzzle why buckled dimers of the Si(001) surface appeared symmetric below 20 K in scanning tunneling microscopy (STM) experiments. Although such symmetr…
Comparing quasiparticle HO level alignment on anatase and rutile TiO
Huijuan Sun, Duncan J. Mowbray, Annapaola Migani +3
Knowledge of the molecular frontier levels' alignment in the ground state can be used to predict the photocatalytic activity of an interface. The position of the adsorbate's highes…
Formation of Ideal Rashba States on Layered Semiconductor Surfaces Steered by Strain Engineering
Wenmei Ming, Z. F. Wang, Miao Zhou +2
Spin splitting of Rashba states in two-dimensional electron system provides a promising mechanism of spin manipulation for spintronics applications. However, Rashba states realized…
Single layer of MX3 (M=Ti, Zr; X=S, Se, Te): a new platform for nano-electronics and optics
Yingdi Jin, Xingxing Li, Jinlong Yang
A serial of two dimensional titanium and zirconium trichalcogenides nanosheets MX3 (M=Ti, Zr; X=S, Se, Te) are investigated based on first-principles calculations. The evaluated lo…